General Information of the Compound
| Compound ID |
CP0495662
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| Compound Name |
N-(3-chlorophenyl)-2-[[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]triazol-4-yl]methoxy]benzamide
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| Structure |
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| Formula |
C29H30ClN5O4
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| Molecular Weight |
548.043
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| Canonical SMILES |
COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4cccc(Cl)c4)nn3)Cc2cc1OC
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| InChI |
InChI=1S/C29H30ClN5O4/c1-37-27-14-20-10-11-34(17-21(20)15-28(27)38-2)12-13-35-18-24(32-33-35)19-39-26-9-4-3-8-25(26)29(36)31-23-7-5-6-22(30)16-23/h3-9,14-16,18H,10-13,17,19H2,1-2H3,(H,31,36)
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| InChIKey |
PJKSFPWVOULIEI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound